| SpectraBase Compound ID | JCjJcCTBsgg |
|---|---|
| InChI | InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34+,35+,36+,37+,38-,40-,41+,42+/m1/s1 |
| InChIKey | ZXKMRIUULRZARB-AELUZKBCSA-N |
| Mol Weight | 993.2 g/mol |
| Molecular Formula | C50H72N8O13 |
| Exact Mass | 992.521884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eCELLLQKXJ |
|---|---|
| Name | MICROPEPTIN_HH992 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72N8O13 |
| InChI | InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34+,35+,36+,37+,38-,40-,41+,42+/m1/s1 |
| InChIKey | ZXKMRIUULRZARB-AELUZKBCSA-N |
| Literature Reference Author | A.LODIN-FRIEDMAN,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,76,1196(2013) |
| Literature Reference DOI | 10.1021/np400281q |
| Molecular Weight | 993.167 g/mol |
| Sample ID | 42694 |
| Solvent | DMSO-D6 |